1-benzyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea

C20H20ClN3O3 — CID 110415585

IUPAC1-benzyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea
SMILESCOc1cc2cc(CCNC(=O)NCc3ccccc3)c(=O)[nH]c2cc1Cl
InChIInChI=1S/C20H20ClN3O3/c1-27-18-10-15-9-14(19(25)24-17(15)11-16(18)21)7-8-22-20(26)23-12-13-5-3-2-4-6-13/h2-6,9-11H,7-8,12H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyUVRKSKHZTXVTSC-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.23
Rot. Bonds6

About 1-benzyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea

1-benzyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea (PubChem CID 110415585) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 1-benzyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea
PubChem CID110415585
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name1-benzyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea
SMILESCOc1cc2cc(CCNC(=O)NCc3ccccc3)c(=O)[nH]c2cc1Cl
InChIInChI=1S/C20H20ClN3O3/c1-27-18-10-15-9-14(19(25)24-17(15)11-16(18)21)7-8-22-20(26)23-12-13-5-3-2-4-6-13/h2-6,9-11H,7-8,12H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyUVRKSKHZTXVTSC-UHFFFAOYSA-N
XLogP3.23
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea with MolForge

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Related Compounds

1-tert-butyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110662896
N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 110416036
N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide
CID 110415543
1-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea
CID 110609264
N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]cyclohexanecarboxamide
CID 110415534
1-benzyl-3-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea
CID 7136903
4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326133
1-benzyl-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea
CID 7137050
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide
CID 110326115
3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea
CID 1437384
N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331627
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326114

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea?
The IUPAC name of 1-benzyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea (CID 110415585) is 1-benzyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea is COc1cc2cc(CCNC(=O)NCc3ccccc3)c(=O)[nH]c2cc1Cl.
What is the InChIKey of 1-benzyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea?
The InChIKey is UVRKSKHZTXVTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-27-18-10-15-9-14(19(25)24-17(15)11-16(18)21)7-8-22-20(26)23-12-13-5-3-2-4-6-13/h2-6,9-11H,7-8,12H2,1H3,(H,24,25)(H2,22,23,26).
What are the key properties of 1-benzyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea?
1-benzyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea has a molecular weight of 385.85 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea is sourced from PubChem (CID 110415585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).